2-N-ethyl-6-methyl-4-N-(1-methylcyclopentyl)pyrimidine-2,4-diamine

C13H22N4 — CID 80840740

IUPAC2-N-ethyl-6-methyl-4-N-(1-methylcyclopentyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(NC2(C)CCCC2)n1
InChIInChI=1S/C13H22N4/c1-4-14-12-15-10(2)9-11(16-12)17-13(3)7-5-6-8-13/h9H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyJDPPPCFKAVYUEZ-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.96
Rot. Bonds4

About 2-N-ethyl-6-methyl-4-N-(1-methylcyclopentyl)pyrimidine-2,4-diamine

2-N-ethyl-6-methyl-4-N-(1-methylcyclopentyl)pyrimidine-2,4-diamine (PubChem CID 80840740) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-(1-methylcyclopentyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-(1-methylcyclopentyl)pyrimidine-2,4-diamine
PubChem CID80840740
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-N-ethyl-6-methyl-4-N-(1-methylcyclopentyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(NC2(C)CCCC2)n1
InChIInChI=1S/C13H22N4/c1-4-14-12-15-10(2)9-11(16-12)17-13(3)7-5-6-8-13/h9H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyJDPPPCFKAVYUEZ-UHFFFAOYSA-N
XLogP2.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 83118042
2-ethyl-6-methyl-N-(1-methylcyclopropyl)pyrimidin-4-amine
CID 130512707
2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718695
6-N-ethyl-2-N,2-N-dimethyl-4-N-(1-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
CID 80818617
4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80827870
2-N-ethyl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80766008
2-N-ethyl-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 142401938
2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80828673
2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80967565
2-N-ethyl-6-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845554
4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]pyrimidin-2-amine
CID 103736984
4-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80777282

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-(1-methylcyclopentyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-(1-methylcyclopentyl)pyrimidine-2,4-diamine (CID 80840740) is 2-N-ethyl-6-methyl-4-N-(1-methylcyclopentyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-(1-methylcyclopentyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-(1-methylcyclopentyl)pyrimidine-2,4-diamine is CCNc1nc(C)cc(NC2(C)CCCC2)n1.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-(1-methylcyclopentyl)pyrimidine-2,4-diamine?
The InChIKey is JDPPPCFKAVYUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-14-12-15-10(2)9-11(16-12)17-13(3)7-5-6-8-13/h9H,4-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-6-methyl-4-N-(1-methylcyclopentyl)pyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-(1-methylcyclopentyl)pyrimidine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methyl-4-N-(1-methylcyclopentyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80840740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).